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Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

Multi-stage decision-making is crucial in various real-world artificial intelligence applications, including recommendation systems, autonomous driving, and quantitative investment systems. In quantitative investment, for example, the…

机器学习 · 计算机科学 2024-11-19 Jian Guo , Saizhuo Wang , Yiyan Qi

Human activities generate various event sequences such as taxi trip records, bike-sharing pick-ups, crime occurrence, and infectious disease transmission. The point process is widely used in many applications to predict such events related…

Among the most relevant processes in the Earth system for human habitability are quasi-periodic, ocean-driven multi-year events whose dynamics are currently incompletely characterized by physical models, and hence poorly predictable. This…

大气与海洋物理 · 物理学 2023-08-09 Matthew Bonas , Christopher K. Wikle , Stefano Castruccio

Machine learning (ML) systems are increasingly deployed in high-stakes domains where reliability is paramount. This thesis investigates how uncertainty estimation can enhance the safety and trustworthiness of ML, focusing on selective…

机器学习 · 计算机科学 2025-09-09 Stephan Rabanser

The increased availability of massive data sets provides a unique opportunity to discover subtle patterns in their distributions, but also imposes overwhelming computational challenges. To fully utilize the information contained in big…

统计理论 · 数学 2018-04-12 Stanislav Volgushev , Shih-Kang Chao , Guang Cheng

The penultimate goal for developing machine learning models in supply chain management is to make optimal interventions. However, most machine learning models identify correlations in data rather than inferring causation, making it…

机器学习 · 计算机科学 2025-01-31 Mateusz Wyrembek , George Baryannis , Alexandra Brintrup

Quantifying unknown quantum entanglement experimentally is a difficult task, but also becomes more and more necessary because of the fast development of quantum engineering. Machine learning provides practical solutions to this fundamental…

量子物理 · 物理学 2023-06-21 Xiaodie Lin , Zhenyu Chen , Zhaohui Wei

A characteristic of existing predictive process monitoring techniques is to first construct a predictive model based on past process executions, and then use it to predict the future of new ongoing cases, without the possibility of updating…

Estimating how uncertain an AI system is in its predictions is important to improve the safety of such systems. Uncertainty in predictive can result from uncertainty in model parameters, irreducible data uncertainty and uncertainty due to…

机器学习 · 统计学 2018-12-03 Andrey Malinin , Mark Gales

Reliable estimation of predictive uncertainty is crucial for machine learning applications, particularly in high-stakes scenarios where hedging against risks is essential. Despite its significance, there is no universal agreement on how to…

机器学习 · 计算机科学 2025-06-17 Kajetan Schweighofer , Lukas Aichberger , Mykyta Ielanskyi , Sepp Hochreiter

Quantum machine learning (QML) is a computational paradigm that seeks to apply quantum-mechanical resources to solve learning problems. As such, the goal of this framework is to leverage quantum processors to tackle optimization,…

量子物理 · 物理学 2025-11-21 Su Yeon Chang , M. Cerezo

Existing approaches of prescriptive analytics -- where inputs of an optimization model can be predicted by leveraging covariates in a machine learning model -- often attempt to optimize the mean value of an uncertain objective. However,…

机器学习 · 计算机科学 2025-03-05 Dimitris Bertsimas , Benjamin Boucher

Uncertainty quantification is crucial to assess prediction quality of a machine learning model. In the case of Extreme Learning Machines (ELM), most methods proposed in the literature make strong assumptions on the data, ignore the…

机器学习 · 统计学 2020-11-04 Fabian Guignard , Federico Amato , Mikhail Kanevski

Quantitative research increasingly relies on unstructured financial content such as filings, earnings calls, and research notes, yet existing LLM and RAG pipelines struggle with point-in-time correctness, evidence attribution, and…

计算工程、金融与科学 · 计算机科学 2025-09-29 Haoxue Wang , Keli Wen , Yuante Li , Qiancheng Qu , Xiangxu Mu , Xinjie Shen , Jiaqi Gao , Chenyang Chang , Chuhan Xie , San Yu Cheung , Zhuoyuan Hu , Xinyu Wang , Sirui Bi , Bi'an Du

Quantum machine learning is an emergent field that continues to draw significant interest for its potential to offer improvements over classical algorithms in certain areas. However, training quantum models remains a challenging task,…

量子物理 · 物理学 2024-11-20 Erik Recio-Armengol , Franz J. Schreiber , Jens Eisert , Carlos Bravo-Prieto

The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…

机器学习 · 计算机科学 2023-08-28 Line Pouchard , Kristofer G. Reyes , Francis J. Alexander , Byung-Jun Yoon

Deep learning models are widely used across computer vision and other domains. When working on the model induction, selecting the right architecture for a given dataset often relies on repetitive trial-and-error procedures. This procedure…

机器学习 · 计算机科学 2026-01-06 Yen-Chia Chen , Hsing-Kuo Pao , Hanjuan Huang

Environmental, Social, and Governance (ESG) datasets are frequently plagued by significant data gaps, leading to inconsistencies in ESG ratings due to varying imputation methods. This paper explores the application of established machine…

机器学习 · 计算机科学 2024-07-30 Sergio Caprioli , Jacopo Foschi , Riccardo Crupi , Alessandro Sabatino

Predictive process monitoring has recently gained traction in academia and is maturing also in companies. However, with the growing body of research, it might be daunting for companies to navigate in this domain in order to find, provided…

人工智能 · 计算机科学 2025-07-22 Chiara Di Francescomarino , Chiara Ghidini , Fabrizio Maria Maggi , Fredrik Milani